Molecule

ID:104115

General Information
Structure
MolImage
Molecular Formula
C₂₂H₄₄O₂
Molecular Mass
340.58356
Exact Mass
340.33413065
Charge
0
InChI
InChI=1S/C22H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h3-21H2,1-2H3
InChIKey
YBKSMWBLSBAFBQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCCC(=O)OCC
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCC(=O)OCC
Calculated Properties
JChem
LogD (pH = 7.4)
8.54
LogD (pH = 5.5)
8.54
Log P
8.54
Rotatable Bonds
20
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-7.03
Polar Surface Area
26.30
Polarizability
47.05
Molar Refractivity
105.01
LOG S
-9.16
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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